Using wavelet transforms for multiresolution materials modeling

Ahmed E. Ismail, Gregory C. Rutledge, George Stephanopoulos

Research output: Contribution to journalReview article

9 Citations (Scopus)

Abstract

We outline how the wavelet transform, a hierarchical averaging scheme, can be used to perform both spatial and topological coarse-graining in systems with multiscale physical behavior, such as Ising lattices and polymer models. We illustrate how to create sampling mechanisms, which we call wavelet-accelerated Monte Carlo (WAMC), to study these systems and obtain qualitatively and quantitatively accurate results in orders of magnitude less time than using atomistic simulations.

Original languageEnglish (US)
Pages (from-to)689-700
Number of pages12
JournalComputers and Chemical Engineering
Volume29
Issue number4
DOIs
StatePublished - Mar 15 2005
Externally publishedYes

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Wavelet transforms
Polymers
Sampling

Keywords

  • Ising model
  • Lattice gas
  • Molecular simulation
  • Self-avoiding walks
  • Wavelets

ASJC Scopus subject areas

  • Chemical Engineering(all)
  • Computer Science Applications

Cite this

Using wavelet transforms for multiresolution materials modeling. / Ismail, Ahmed E.; Rutledge, Gregory C.; Stephanopoulos, George.

In: Computers and Chemical Engineering, Vol. 29, No. 4, 15.03.2005, p. 689-700.

Research output: Contribution to journalReview article

Ismail, Ahmed E. ; Rutledge, Gregory C. ; Stephanopoulos, George. / Using wavelet transforms for multiresolution materials modeling. In: Computers and Chemical Engineering. 2005 ; Vol. 29, No. 4. pp. 689-700.
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